Spectrochimica Acta Part A: Molecular Spectroscopy, 1(47), p. 29-33
DOI: 10.1016/0584-8539(91)80175-i
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Two numerical methods are used to solve the time independent Schrödinger equation for the torsional potential functions for HONO and HSSH. High accuracy energy levels are obtained with a relatively low computational cost. Theoretical results are compared with the experimental data and different aspects of the dynamic of internal rotation are discussed.